N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide

C13H15FN4O2S — CID 166424353

IUPACN-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(OC)ns1)c1cnn(CCF)c1
InChIInChI=1S/C13H15FN4O2S/c1-3-13(19)18(9-11-6-12(20-2)16-21-11)10-7-15-17(8-10)5-4-14/h3,6-8H,1,4-5,9H2,2H3
InChIKeyANKZYSDEYHFGDF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.04
Rot. Bonds7

About N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide

N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 166424353) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID166424353
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(OC)ns1)c1cnn(CCF)c1
InChIInChI=1S/C13H15FN4O2S/c1-3-13(19)18(9-11-6-12(20-2)16-21-11)10-7-15-17(8-10)5-4-14/h3,6-8H,1,4-5,9H2,2H3
InChIKeyANKZYSDEYHFGDF-UHFFFAOYSA-N
XLogP2.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-difluoro-4-methylphenyl)methyl]-N-(1-methylpyrazol-4-yl)prop-2-enamide
CID 166419991
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 154880629
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
CID 166407535
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcarbamoyl chloride
CID 165498652
2-chloro-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166405804
2-chloro-N-(2-methoxyethyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]acetamide
CID 166415337
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 167848840
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
CID 166424346
N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 167887409
N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 175533762
4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
CID 126964998
N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide
CID 146146211

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide (CID 166424353) is N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cc(OC)ns1)c1cnn(CCF)c1.
What is the InChIKey of N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is ANKZYSDEYHFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-3-13(19)18(9-11-6-12(20-2)16-21-11)10-7-15-17(8-10)5-4-14/h3,6-8H,1,4-5,9H2,2H3.
What are the key properties of N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide?
N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)pyrazol-4-yl]-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).